| SpectraBase Compound ID | IdDe0JR79Q3 |
|---|---|
| InChI | InChI=1S/C8H5Br3O/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,7-8H |
| InChIKey | UHVTXVSGEZOQDL-UHFFFAOYSA-N |
| Mol Weight | 356.84 g/mol |
| Molecular Formula | C8H5Br3O |
| Exact Mass | 353.789054 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8HDyACOkkYi |
|---|---|
| Name | 2,3,5-Tribromo-2,3-dihydro-1-benzofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.789053780 u |
| Formula | C8H5Br3O |
| InChI | InChI=1S/C8H5Br3O/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,7-8H |
| InChIKey | UHVTXVSGEZOQDL-UHFFFAOYSA-N |
| Molecular Weight | 356.839 g/mol |
| SMILES | C=12OC(C(C1C=C(C=C2)Br)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950652 |